2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone

C22H29N3O — CID 95810462

About 2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone

2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 95810462) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
• PubChem CID: 95810462
• Molecular Formula: C22H29N3O
• Molecular Weight: 351.49 g/mol
• Exact Mass: 351.23
• IUPAC Name: 2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
• SMILES: Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)CN(C)C)C3)n2)c1
• InChI: InChI=1S/C22H29N3O/c1-17-7-4-8-18(13-17)14-20-10-5-11-21(23-20)19-9-6-12-25(15-19)22(26)16-24(2)3/h4-5,7-8,10-11,13,19H,6,9,12,14-16H2,1-3H3/t19-/m0/s1
• InChIKey: WLIRIMDEJDTVFY-IBGZPJMESA-N
• XLogP: 3.25
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.49
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone (CID 95810462) is 2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone is Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)CN(C)C)C3)n2)c1.

What is the InChIKey of 2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?

The InChIKey is WLIRIMDEJDTVFY-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O/c1-17-7-4-8-18(13-17)14-20-10-5-11-21(23-20)19-9-6-12-25(15-19)22(26)16-24(2)3/h4-5,7-8,10-11,13,19H,6,9,12,14-16H2,1-3H3/t19-/m0/s1.

What are the key properties of 2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone?

2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 351.49 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95810462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).